Spectral, Electrochemical and Molecular Modeling Studies of Some 3 (2 Hydroxy benzalhydrazino-4-thiazolyl)coumarins

Abstract

Spectral, cyclic voltammetric and molecular modeling studies have been carried out on some 3-(2-hydroxybenzalhydrazino-4-thiozolyl)coumarins (1), to understand their solution and electrochemical characteristics. These investigations reveal structural alterations in the conjugates of their acid-base equilibria as indicated by considerable bathochromic shift in electronic spectra and changes in electron transfer properties with rise in pH. The pK_a values and electrochemical data such as E_p, i_p, α_na, k ° _h, etc., of 1 were evaluated. Further, the compound 1 is found to be good chelating ligands. Molecular modeling studies were also performed to correlate the spectral and electrochemical observations. Voltammetric analysis of 1 is also presented.